1H-Indene, 2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-

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  • Identifiers

    CAS number
    33704-59-5

    Molecular formula
    C14H24

    SMILES
    CC1C(C2=C(C1(C)C)CCCC2)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.72%
    Amber 53.6%
    Dry 52.85%
    Sweet 50.53%
    Musk 43.18%
    Cedar 38.13%
    Powdery 36.89%
    Spicy 34.55%
    Balsamic 33.55%
    Camphoreous 31.49%

     

    Flavor
    Woody 66.48%
    Camphor 53.76%
    Sweet 44.88%
    Pine 41.94%
    Dry 39.39%
    Wood 29.7%
    Earthy 27.96%
    Balsam 27.82%
    Fir needle 27.39%
    Herbal 26.93%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    10.57 (weak base)

    Molecular weight
    192.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    245°C

    Flash point

    • 97.49 ˚C est.

  • Synonyms

    • 2,3,4,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-1H-indene
    • 1H-Indene, 2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-
    • EINECS 251-647-2
    • DTXSID8067789
    • RefChem:79845
    • DTXCID2038734
    • 251-647-2
    • 33704-59-5
    • 1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1h-indene
    • P2T8EJ3EKQ
    • SCHEMBL1495221
    • SCHEMBL10393807
    • SCHEMBL10393809
    • CDEGOUYLXTUDAU-UHFFFAOYSA-N
    • NS00007680
    • 33704-59-5

  • Applications

    1H-Indene, 2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl- (CAS number: 33704-59-5) is a bulky alicyclic hydrocarbon commonly used as an intermediate in fragrance compound synthesis; it can also function as a solvent or processing aid in industrial coatings, inks, and adhesive formulations; it serves as a building block or raw material in the synthesis of polymers and specialty plastics; and it is evaluated as a precursor for the development of other specialty chemicals in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 231.28
    methanol 222.9
    isopropanol 224.05
    water 1.23
    ethyl acetate 649.59
    n-propanol 284.73
    acetone 629.84
    n-butanol 282.02
    acetonitrile 500.77
    DMF 739.56
    toluene 1055.09
    isobutanol 254.04
    1,4-dioxane 1293.8
    methyl acetate 547.16
    THF 2181.67
    2-butanone 605.06
    n-pentanol 172.97
    sec-butanol 228.33
    n-hexane 270.09
    ethylene glycol 41.45
    NMP 968.39
    cyclohexane 522.48
    DMSO 318.32
    n-butyl acetate 795.89
    n-octanol 281.56
    chloroform 1369.88
    n-propyl acetate 392.01
    acetic acid 168.24
    dichloromethane 1223.96
    cyclohexanone 1300.13
    propylene glycol 55.88
    isopropyl acetate 577.38
    DMAc 573.77
    2-ethoxyethanol 214.34
    isopentanol 266.45
    n-heptane 301.85
    ethyl formate 327.22
    1,2-dichloroethane 926.18
    n-hexanol 480.22
    2-methoxyethanol 354.43
    isobutyl acetate 387.53
    tetrachloromethane 541.02
    n-pentyl acetate 544.84
    transcutol 587.6
    n-heptanol 302.53
    ethylbenzene 474.91
    MIBK 489.37
    2-propoxyethanol 623.68
    tert-butanol 303.28
    MTBE 597.02
    2-butoxyethanol 384.95
    propionic acid 228.69
    o-xylene 614.08
    formic acid 45.8
    diethyl ether 824.37
    m-xylene 819.56
    p-xylene 617.28
    chlorobenzene 870.14
    dimethyl carbonate 363.88
    n-octane 137.42
    formamide 92.75
    cyclopentanone 1464.97
    2-pentanone 612.48
    anisole 635.76
    cyclopentyl methyl ether 1251.57
    gamma-butyrolactone 1376.42
    1-methoxy-2-propanol 352.21
    pyridine 1041.66
    3-pentanone 611.7
    furfural 858.79
    n-dodecane 83.07
    diethylene glycol 268.07
    diisopropyl ether 463.18
    tert-amyl alcohol 268.14
    acetylacetone 711.61
    n-hexadecane 101.49
    acetophenone 477.14
    methyl propionate 570.27
    isopentyl acetate 769.56
    trichloroethylene 1312.85
    n-nonanol 258.87
    cyclohexanol 470.49
    benzyl alcohol 291.89
    2-ethylhexanol 400.97
    isooctanol 266.65
    dipropyl ether 790.53
    1,2-dichlorobenzene 790.76
    ethyl lactate 172.54
    propylene carbonate 723.18
    n-methylformamide 308.28
    2-pentanol 247.34
    n-pentane 263.53
    1-propoxy-2-propanol 482.33
    1-methoxy-2-propyl acetate 728.95
    2-(2-methoxypropoxy) propanol 323.49
    mesitylene 605.61
    ε-caprolactone 975.32
    p-cymene 449.16
    epichlorohydrin 1214.94
    1,1,1-trichloroethane 1059.05
    2-aminoethanol 87.79
    morpholine-4-carbaldehyde 871.45
    sulfolane 1131.48
    2,2,4-trimethylpentane 138.3
    2-methyltetrahydrofuran 1322.52
    n-hexyl acetate 665.48
    isooctane 128.73
    2-(2-butoxyethoxy)ethanol 370.45
    sec-butyl acetate 363.6
    tert-butyl acetate 691.41
    decalin 247.96
    glycerin 84.04
    diglyme 819.12
    acrylic acid 184.32
    isopropyl myristate 341.14
    n-butyric acid 371.04
    acetyl acetate 507.23
    di(2-ethylhexyl) phthalate 230.87
    ethyl propionate 438.62
    nitromethane 428.07
    1,2-diethoxyethane 590.28
    benzonitrile 565.87
    trioctyl phosphate 203.9
    1-bromopropane 725.5
    gamma-valerolactone 1326.86
    n-decanol 190.94
    triethyl phosphate 311.34
    4-methyl-2-pentanol 205.99
    propionitrile 577.47
    vinylene carbonate 662.1
    1,1,2-trichlorotrifluoroethane 475.65
    DMS 583.36
    cumene 345.0
    2-octanol 235.34
    2-hexanone 418.95
    octyl acetate 354.69
    limonene 571.02
    1,2-dimethoxyethane 611.56
    ethyl orthosilicate 314.96
    tributyl phosphate 241.59
    diacetone alcohol 400.54
    N,N-dimethylaniline 464.55
    acrylonitrile 572.16
    aniline 552.11
    1,3-propanediol 157.3
    bromobenzene 1074.16
    dibromomethane 957.77
    1,1,2,2-tetrachloroethane 1012.11
    2-methyl-cyclohexyl acetate 527.01
    tetrabutyl urea 304.06
    diisobutyl methanol 276.73
    2-phenylethanol 490.13
    styrene 525.16
    dioctyl adipate 347.9
    dimethyl sulfate 455.46
    ethyl butyrate 577.21
    methyl lactate 212.61
    butyl lactate 287.92
    diethyl carbonate 387.75
    propanediol butyl ether 210.08
    triethyl orthoformate 471.77
    p-tert-butyltoluene 467.6
    methyl 4-tert-butylbenzoate 557.28
    morpholine 1082.64
    tert-butylamine 283.48
    n-dodecanol 152.7
    dimethoxymethane 781.71
    ethylene carbonate 617.39
    cyrene 301.27
    2-ethoxyethyl acetate 548.29
    2-ethylhexyl acetate 733.42
    1,2,4-trichlorobenzene 795.39
    4-methylpyridine 1062.2
    dibutyl ether 525.68
    2,6-dimethyl-4-heptanol 276.73
    DEF 634.34
    dimethyl isosorbide 762.26
    tetrachloroethylene 821.94
    eugenol 387.9
    triacetin 446.37
    span 80 299.49
    1,4-butanediol 62.25
    1,1-dichloroethane 861.07
    2-methyl-1-pentanol 181.98
    methyl formate 307.64
    2-methyl-1-butanol 262.1
    n-decane 150.93
    butyronitrile 539.37
    3,7-dimethyl-1-octanol 293.11
    1-chlorooctane 377.66
    1-chlorotetradecane 165.65
    n-nonane 156.94
    undecane 108.02
    tert-butylcyclohexane 221.41
    cyclooctane 307.9
    cyclopentanol 461.41
    tetrahydropyran 1398.55
    tert-amyl methyl ether 508.63
    2,5,8-trioxanonane 512.4
    1-hexene 436.61
    2-isopropoxyethanol 202.76
    2,2,2-trifluoroethanol 116.9
    methyl butyrate 473.62

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction